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# FLEUR Hands-on 2021 Here you find the program for the tutorial week. You can also access it using this link: https://iffmd.fz-juelich.de/s/C0ioQaFaY There are different kinds of events: * Talks shown in the lecture room (since these are recorded you can also watch them by using the links below) * Q&A Sessions in the lecture room for the talks and a final Q&A session at the end of the day. * Hands-on sessions in the tutorial rooms. ***Please distribute yourself evenly in these rooms***. Session 1 and Session 2 cover the same subjects, ***please join one of these sessions***. (A list of subjects for the hands-on session can be found at the end of this document.) * Poster session in the Poster room. You might also consider contacting the poster presenter directly in the chat to make an appointment at a poster at these or other times. Note: All times are in CEST. Times of live-events, that are not recorded and where you can interact are shown in ***bold*** ## Monday: Lecture Room: | time | Title | Speaker | | ----- | ---------------------------------------------------------------------------------- | ---------------------------------------------------- | | ***8:30*** | Welcome/Organization | Uliana Alekseeva, Gregor Michalicek, Daniel Wortmann | | 8:40 | [Density Functional Theory](https://youtu.be/7B_CDwA7bUY) | Stefan Blügel | | 9:10 | [DFT methods](https://youtu.be/j5nbXjqIBDE) | Daniel Wortmann | | 9:30 | [The all-electron FLAPW method](https://youtu.be/u32kCEAKpNk) | Gregor Michalicek | | 10:00 | [The FLEUR webpage/User support/Development process](https://youtu.be/-5dfQhG45_Y) | Daniel Wortmann | | 10:10 | [Basic FLEUR workflows](https://youtu.be/7GNoZDAKXJs) | Gregor Michalicek | | 10:30 | [Forces in FLEUR](https://youtu.be/gUVvrFXzLwM) | Alexander Neukirchen | | ***10:45*** | Q&A for all talks | all speakers | | ***11:00*** | Short intro for Hands-on sessions | Daniel Wortmann | 5 Tutorial Rooms: | time | Title | | ----- | ------------------ | | ***11:30*** | Tutorial Session 1 | | ***13:00*** | Tutorial Session 1 | Lecture Room: | time | Title | Speaker | | ----- | -------------------------------- | --------------- | | ***15:00*** | Short intro for Hands-on sessions | Daniel Wortmann | | ***15:15*** | Q&A session for all talks | all speakers | 5 Tutorial Rooms: | time | Title | | | ----- | ------------------ | ----------------- | | ***15:30*** | Tutorial Session 2 | Tutors in 5 Rooms | | ***17:00*** | Tutorial Session 2 | Tutors in 5 Rooms | Lecture Room: | time | Title | Speaker | | ----- | ---------------------------- | ---------- | | ***18:00*** | Final Q&A session of the day | organizers | ## Tuesday: Lecture Room: | time | Title | Speaker | | ----- | ----------------------------------------------------------------------------- | ----------------- | | 8:30 | [Basic Magnetism](https://youtu.be/OiHDcQ10LAY) | Robin Hilger | | 8:45 | [Spin-orbit Coupling](https://youtu.be/WqjpyCw-fSQ) | Gustav Bihlmayer | | 9:12 | [Advanced Magnetism](https://youtu.be/QDxVWuQoE_Q) | Daniel Wortmann | | 9:33 | [How to obtain high-quality results with Fleur](https://youtu.be/VeavaUVEbLw) | Gregor Michalicek | | 10:01 | [Wannier functions](https://youtu.be/W3R1S6AYyj4) | Dongwook Go | | 10:33 | [Band unfolding](https://youtu.be/OrAvDyBDhFE) | Stefan Rost | | ***10:46*** | Q&A for all talks | all speakers | | | | | 5 Tutorial Rooms: | time | Title | | ----- | ------------------ | | ***11:30*** | Tutorial Session 1 | | ***13:00*** | Tutorial Session 1 | Poster Room: | time | Title | | ----- | -------------- | | ***14:30*** | Poster Session | Lecture Room: | time | Title | Speaker | | ----- | ------------------------- | -------------------------- | | ***15:00*** | Q&A for all morning talks | speaker of morning session | 5 Tutorial Rooms: | time | Title | | | ----- | ------------------ | ----------------- | | ***15:30*** | Tutorial Session 2 | Tutors in 5 Rooms | | ***17:00*** | Tutorial Session 2 | Tutors in 5 Rooms | Lecture Room: | time | Title | | ----- | ---------------------------- | | ***18:00*** | Final Q&A session of the day | ## Wednesday: | mins | Title | Speaker | | ----------- | ----------------------------------------------------- | ------------------ | | 9:10 | [Parallel FLEUR](https://youtu.be/9ypti7Xb0S8) | Uliana Alekseeva | | 9:40 | [Introduction to AiiDA](https://youtu.be/jigMCyWGNAE) | Francisco Fernando Ramirez | | 10:05 | [AiiDA-FLEUR](https://youtu.be/qPVWA2motO4) | Jens Bröder | | 10:20 | [AiiDA-FLEUR workflows](https://youtu.be/2BVrZ4siJNg) | Vasily Tseplyaev | | ***10:45*** | Q&A for all talks | all speakers | 5 Tutorial Rooms: | time | Title | | ----- | ------------------ | | ***11:30*** | Tutorial Session 1 | | ***13:00*** | Tutorial Session 1 | | | | Poster Room: | time | Title | | ----- | -------------- | | ***14:30*** | Poster Session | | | | Lecture Room: | time | Title | Speaker | | ----- | ------------------------- | --------------------------- | | ***15:00*** | Q&A for all morning talks | speakers of morning session | 5 Tutorial Rooms: | time | Title | | ----- | ------------------ | | ***15:30*** | Tutorial Session 2 | | ***17:00*** | Tutorial Session 2 | Lecture Room: | time | Title | | ----- | ---------------------------- | | ***18:00*** | Final Q&A session of the day | | | | ## Thursday: | time | Title | Speaker | | ----------- | ------------------------------------------------------------------------------------------------ | --------------------------- | | 8:30 | [XC functionals](https://youtu.be/6Bdk-37KfzI) | Gustav Bihlmayer | | 9:00 | [Many-body perturbation theory: The GW approximation ](https://youtu.be/RfGxeiS0yH4) | Christoph Friedrich | | 9:45 | [Combining GW and GT self-energies](https://youtu.be/cnsFx1GbLtM) | Dmitrii Nabok | | 10:10 | [Hubbard U parameters from constrained random-phase approximation](https://youtu.be/msQA8Bc_Fc8) | Christoph Friedrich | | ***10:45*** | Q&A for all morning talks | speakers of morning session | 5 Tutorial Rooms: | time | Title | | ----- | -------------------------------------------------- | |***11:30***| Tutorial Session 1 | |***13:00***| Tutorial Session 1 | Poster Room: | time | Title | | ----- | -------------- | | ***14:30*** | Poster Session | Room: Lecture room | time | Title | Speaker | | ----------- | -------------------------------- | ----------------- | | ***15:00*** | Q&A for all morning talks | speakers of morning session | 5 Tutorial Rooms: | time | Title | | ----- | -------------------------------------------------- | | ***15:30*** | Tutorial Session 2 | Tutors in 5 Rooms | | ***17:00***| Tutorial Session 2 | Tutors in 5 Rooms | Lecture Room: | time | Title | Speaker | | ----- | -------------------------------------------------- | -------- | |***18:00*** | Final Q&A session of the day || ## Fri: | mins | Title | Speaker | | ---- | ----------------------- | ------- | | 8:30 | [Hybrid functionals](https://youtu.be/2kxSwdKFIRM) | Matthias Redies | | 8:50 | [FLEUR@GPU](https://youtu.be/PJn1aKmV2dE) | Uliana Alekseeva | | 9:30 | [LDA+U](https://youtu.be/fgWpZOxCpxs) | Henning Janssen | | ***10:15*** | Research with FLEUR and Wannier functions | Dongwook Go 5 Tutorial Rooms: | time | Title | | ----- | -------------------------------------------------- | |***11:30***| Tutorial Session 1 | |***13:00***| Tutorial Session 1 | Poster Room: | time | Title | | ----------- | ------ | | ***14:30*** | Poster | | | | Lecture Room: | time | Title | Speaker | | ----------- | -------------------------------- | ----------------- | | ***15:00*** | Q&A for all morning talks | speakers of morning session | 5 Tutorial Rooms: | time | Title | | ----- | -------------------------------------------------- | | ***15:30*** | Tutorial Session 2 | Tutors in 5 Rooms | | ***17:00***| Tutorial Session 2 | Tutors in 5 Rooms | Lecture Room: | time | Title | Speaker | | ----- | -------------------------------------------------- | -------- | |***18:00*** | Farewell|organizers| ## Hands-on sessions The hands-on sessions are assigned to rooms as indicated in the main room. Usually, you should be able to follow two of these each day. Some of them are repeated later as well. The last room (room 5) features a different shedule and can be used if you missed some previous hands-on. Monday: F1: Basic Fleur, DOS F2: Films, BS, Relax Tuesday: M1: Magnetic setups, Spin spirals M2: Spin-orbit coupling, force theorem Wednesday: A1: Basic AiiDA-FLEUR A2: More advanced AiiDA-FLEUR Thursday: GW1: GW-Approximation 1 GW2: GW-Approximation 2 Friday: Wannier: Wannier function tutorial LDA+U: LDA+U tutorial (in addition we re-offer the GW+AiiDA tutorials and a room for discussion installation issues on Friday)